Ce3(PN3)2
Alexandria ALEXAlex-ID: agm033822574 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_43_spg2
Ce2PN4 P
2025-01-05 21:08:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033822574).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm033822574
data_agm033822574
_cell_length_a 5.65722
_cell_length_b 5.73112
_cell_length_c 6.56371
_cell_angle_alpha 90.52686
_cell_angle_beta 117.24220
_cell_angle_gamma 119.80655
_cell_volume 156.25423
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.43151 0.71956 0.18157 1.00000
Ce2 Ce 0.56849 0.28044 0.81843 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
P1 P 0.94191 0.97354 0.81646 1.00000
P2 P 0.05809 0.02646 0.18354 1.00000
N1 N 0.55577 0.77993 0.62606 1.00000
N2 N 0.86919 0.69507 0.18339 1.00000
N3 N 0.13948 0.83965 0.81169 1.00000
N4 N 0.13081 0.30493 0.81661 1.00000
N5 N 0.86052 0.16035 0.18831 1.00000
N6 N 0.44423 0.22007 0.37394 1.00000
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